Structure manipulation of graphene by hydrogenation

Chemical functionalization is one of the most promising routes to manipulate the electronic properties of graphene. Through single-sided hydrogenation on graphene, quantized specific bending angles (from 0° to 180°) can be obtained, thus providing a controllable knob to tune the hydrogenated structure. Using molecular dynamics simulations, we show that hydrogenation can be used to manipulate graphene into a variety of well-defined geometrical configurations by precisely controlling the size, location and direction of hydrogenation. This work suggests that hydrogenation is a possible route to achieve complex structures without cutting or joining process during graphene-based nanoelectronic device fabrication.